N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide

C19H24N4O2 — CID 119866426

IUPACN-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1NC(=O)c1ccncc1
InChIInChI=1S/C19H24N4O2/c1-12-5-6-14(22-18(25)16(20)19(2,3)4)11-15(12)23-17(24)13-7-9-21-10-8-13/h5-11,16H,20H2,1-4H3,(H,22,25)(H,23,24)/t16-/m1/s1
InChIKeyJIFOESHSUAWSNK-MRXNPFEDSA-N
MW340.43 g/mol
LogP2.95
Rot. Bonds4

About N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide

N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide (PubChem CID 119866426) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide
PubChem CID119866426
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1NC(=O)c1ccncc1
InChIInChI=1S/C19H24N4O2/c1-12-5-6-14(22-18(25)16(20)19(2,3)4)11-15(12)23-17(24)13-7-9-21-10-8-13/h5-11,16H,20H2,1-4H3,(H,22,25)(H,23,24)/t16-/m1/s1
InChIKeyJIFOESHSUAWSNK-MRXNPFEDSA-N
XLogP2.95
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
CID 39193427
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119669266
N-[5-[(3,5-dimethylfuran-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 122146668
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 103930161
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide (CID 119866426) is N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1NC(=O)c1ccncc1.
What is the InChIKey of N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide?
The InChIKey is JIFOESHSUAWSNK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-5-6-14(22-18(25)16(20)19(2,3)4)11-15(12)23-17(24)13-7-9-21-10-8-13/h5-11,16H,20H2,1-4H3,(H,22,25)(H,23,24)/t16-/m1/s1.
What are the key properties of N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide?
N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 119866426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).